Summary

IMPPAT Phytochemical identifier: IMPHY015199

Phytochemical name: Hexane, 1-(pentyloxy)-

Synonymous chemical names:
1-pentoxyhexane

External chemical identifiers:
CID:36108, SureChEMBL:SCHEMBL198358

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Chemical structure information

SMILES:
CCCCCOCCCCCC

InChI:
InChI=1S/C11H24O/c1-3-5-7-9-11-12-10-8-6-4-2/h3-11H2,1-2H3

InChIKey:
ABMGECRLBPHGSD-UHFFFAOYSA-N

DeepSMILES:
CCCCCOCCCCCC

Functional groups:
COC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Ethers

NP Classifier Biosynthetic pathway: Fatty acids

NP-Likeness score: -0.027

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Chemical structure download